SCHEMBL11242301

SCHEMBL11242301

CC(C)NCC(O)COc1ccc(CC(=O)NCCCCCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ HTR7 P34969 2/20 0.49
▸ LMNA P02545 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ADRB2 P07550 2/20 0.49
▸ ADRB1 P08588 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ ALOX15 P16050 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11242298 1.00 MAPT (0.50) MAPTHTR7LMNATDP1ADRB2
Fumaric Acid SCHEMBL11550017 0.96 LMNA (0.47) MAPTHTR7LMNATDP1ADRB2
SCHEMBL11247956 0.93 MAPT (0.53) MAPTHTR7LMNATDP1ADRB2
SCHEMBL11248000 0.93 MAPT (0.53) MAPTHTR7LMNATDP1ADRB2
SCHEMBL11246088 0.85 ADRB2 (0.56) MAPTHTR7LMNAADRB2ADRB1
SCHEMBL11456001 0.85 ADRB2 (0.56) MAPTHTR7LMNAADRB2ADRB1
SCHEMBL11246083 0.85 ADRB2 (0.56) MAPTHTR7LMNAADRB2ADRB1
SCHEMBL11456002 0.85 ADRB2 (0.56) MAPTHTR7LMNAADRB2ADRB1
Hydrochloric Acid SCHEMBL11256110 0.84 MAPT (0.56) MAPTHTR7LMNAADRB2ADRB1
Hydrochloric Acid SCHEMBL11253835 0.84 MAPT (0.56) MAPTHTR7LMNAADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 — — US claimed
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 — — EP claimed
US-4336382-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-06-22 — — US disclosed
US-4329289-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-05-11 — — US disclosed
US-4314085-A Intermediates for preparing adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-02-02 — — US disclosed
US-4304721-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-12-08 — — US disclosed
US-4301300-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-17 — — US disclosed
US-4285873-A ANTIANDROGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-25 — — US disclosed
US-4281189-A Sulfonamide intermediates for adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-28 — — US disclosed
US-4278608-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-14 — — US disclosed
US-4247710-A THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE HOFFMANN-LA ROCHE INC. (US) 1981-01-27 — — US disclosed
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 — — US disclosed
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 — — EP disclosed
Send feedback