SCHEMBL7824642

SCHEMBL7824642

O=C1C(Cc2c[nH]c3ccccc23)NCCN1CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TACR2 P21452 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ SSTR1 P30872 2/20 0.43
▸ SSTR2 P30874 2/20 0.43

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
SCHEMBL7832835 1.00 TACR1 (0.46) TACR1SMN1; SMN2LMNAKMT2ANPSR1
SCHEMBL7824637 1.00 TACR1 (0.46) TACR1SMN1; SMN2LMNAKMT2ANPSR1
SCHEMBL7836786 0.91 TACR1 (0.45) TACR1SMN1; SMN2LMNAKMT2ATACR2
SCHEMBL7836789 0.91 TACR1 (0.45) TACR1SMN1; SMN2LMNAKMT2ATACR2
SCHEMBL7842854 0.91 TACR1 (0.45) TACR1SMN1; SMN2LMNAKMT2ATACR2
SCHEMBL7825453 0.91 TACR1 (0.54) TACR1SMN1; SMN2KMT2ATACR2POLB
SCHEMBL7825447 0.91 TACR1 (0.54) TACR1SMN1; SMN2KMT2ATACR2POLB
SCHEMBL7825610 0.91 TACR1 (0.54) TACR1SMN1; SMN2KMT2ATACR2POLB
Hydrochloric Acid SCHEMBL7836546 0.90 TACR1 (0.53) TACR1SMN1; SMN2KMT2ATACR2POLB
Hydrochloric Acid SCHEMBL7836860 0.90 TACR1 (0.53) TACR1SMN1; SMN2KMT2ATACR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815105-B1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2001-10-04 — — EP claimed
CN-1067068-C Heterocyclic subsitituted piperazinone derivatives as tachykinin receptor antagonists HOECHST PHARMACEUTICAL CORP (US) 2001-06-13 — — CN claimed
CN-1178529-A Heterocyclic subsitituted piperazinone derivatives as tachykinin receptor antagonists HOECHST MARION ROUSSEL INC (US) 1998-04-08 — — CN claimed
EP-0815105-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1998-01-07 — — EP claimed
WO-1996028441-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1996-09-19 — — WO claimed
EP-0815105-B1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2001-10-04 — — EP disclosed
CN-1067068-C Heterocyclic subsitituted piperazinone derivatives as tachykinin receptor antagonists HOECHST PHARMACEUTICAL CORP (US) 2001-06-13 — — CN disclosed
CN-1178529-A Heterocyclic subsitituted piperazinone derivatives as tachykinin receptor antagonists HOECHST MARION ROUSSEL INC (US) 1998-04-08 — — CN disclosed
EP-0815105-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1998-01-07 — — EP disclosed
WO-1996028441-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1996-09-19 — — WO disclosed
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