SCHEMBL10361981

SCHEMBL10361981

CC(CC(=O)Nc1ccc(N(C)C)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ POLB P06746 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ OPRL1 P41146 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GFER P55789 2/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ MCL1 Q07820 1/20 0.46

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
SCHEMBL10361959 0.83 LMNA (0.62) HTTMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL10363478 0.81 HTT (0.57) HTTMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL10361967 0.80 HTT (0.53) HTTMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL10363646 0.77 HTT (0.53) HTTMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL29387484 0.76 ALDH1A1 (0.76) HTTMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL7273068 0.73 ALDH1A1 (0.52) HTTMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL10361518 0.73 LMNA (0.61) HTTMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL10362381 0.72 LMNA (0.56) ALDH1A1POLBTDP1CA1CA2
SCHEMBL10362411 0.72 LMNA (0.58) HTTMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL10362444 0.70 LMNA (0.60) HTTMAPTALDH1A1SMN1; SMN2POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207901-B1 ANTIANAPHYLACTIC AND ANTIBRONCHOSPASTIC N-BENZHYDRYLDIAZACYCLOALKYLALKANANILIDES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1990-11-28 — — EP claimed
US-4675319-A Antianaphylactic and antibronchospastic piperazinyl-(N-substituted phenyl)carboxamides, compositions and use RECORDATI S. A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-06-23 — — US claimed
EP-0207901-B1 ANTIANAPHYLACTIC AND ANTIBRONCHOSPASTIC N-BENZHYDRYLDIAZACYCLOALKYLALKANANILIDES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1990-11-28 — — EP disclosed
US-4675319-A Antianaphylactic and antibronchospastic piperazinyl-(N-substituted phenyl)carboxamides, compositions and use RECORDATI S. A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-06-23 — — US disclosed
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