SCHEMBL27776883

SCHEMBL27776883

NC(=O)C(Cc1c[nH]cn1)NCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ ERAP2 Q6P179 7/20 0.38
▸ LNPEP Q9UIQ6 5/20 0.38
▸ ERAP1 Q9NZ08 5/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ IL1RN P18510 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1667210 0.90 GGT1 (0.42) GPR142SIGMAR1KMT2AHPGDNPC1
SCHEMBL1667207 0.90 GGT1 (0.42) GPR142SIGMAR1KMT2AHPGDNPC1
SCHEMBL6384640 0.88 MC5R (0.39) GPR142ELANE
SCHEMBL7281103 0.83 PARP1 (0.50) PARP1ERAP2LNPEPERAP1HPGD
SCHEMBL7314276 0.81 ERAP2 (0.36) ERAP2LNPEPERAP1ELANEIL1RN
Imidazole SCHEMBL27889109 0.81 GPR142 (0.39) GPR142SIGMAR1KMT2AHPGDNPC1
SCHEMBL9238392 0.79 GGT1 (0.47) GPR142
SCHEMBL27506310 0.79 CTSL (0.51) —
Hydrochloric Acid SCHEMBL8616629 0.79 KMT2A (0.52) GPR142SIGMAR1KMT2AELANE
SCHEMBL23573011 0.78 NLN (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101531637-A A novel compound capable of restraining and blocking M2 ion channel activity and application thereof CHINESE ACADEMY OF SCIENCES GU 2009-09-16 — — CN claimed
CN-101531637-B A novel compound capable of restraining and blocking M2 ion channel activity and application thereof CHINESE ACADEMY OF SCIENCES GUANGZHOU INST OF BIOMEDICINE AND HEALTH 2011-07-13 — — CN disclosed
CN-101531637-A A novel compound capable of restraining and blocking M2 ion channel activity and application thereof CHINESE ACADEMY OF SCIENCES GU 2009-09-16 — — CN disclosed
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