SCHEMBL7353247

SCHEMBL7353247

CN1CCN(C2Cc3ccccc3N(C(=O)c3ccc(N)cc3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.53
AVPR1A P37288 2/20 0.53
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SIGMAR1 Q99720 4/20 0.42
CTSD P07339 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL7353185 0.91 AVPR2 (0.62) AVPR2AVPR1ARAB9AHPGDSMN1; SMN2
SCHEMBL7351994 0.84 HPGD (0.46) HPGDSMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL27318182 0.84 AVPR2 (0.53) AVPR2AVPR1ARAB9AHPGDSMN1; SMN2
SCHEMBL7352202 0.80 AVPR2 (0.56) AVPR2AVPR1ARAB9AHPGDSMN1; SMN2
SCHEMBL7350319 0.78 AVPR2 (0.64) AVPR2AVPR1ARAB9AHPGDSMN1; SMN2
SCHEMBL13980487 0.76 AVPR2 (0.58) AVPR2AVPR1AL3MBTL3L3MBTL1HSD11B1
SCHEMBL27325426 0.76 AVPR2 (0.54) AVPR2AVPR1ARAB9AHPGDSMN1; SMN2
SCHEMBL7357354 0.76 AVPR2 (0.54) AVPR2AVPR1ARAB9AHPGDSMN1; SMN2
SCHEMBL7346654 0.75 MAPT (0.47) HPGDSMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL7352814 0.73 AVPR2 (0.68) AVPR2AVPR1ARAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed