SCHEMBL5236545

SCHEMBL5236545

Nc1ccc(C(=O)N2CCc3cnoc3-c3sccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.44
AVPR1A P37288 4/20 0.44
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 8/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
KMT2A Q03164 3/20 0.38
STAT3 P40763 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 2/20 0.34

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
SCHEMBL8561104 0.81 AVPR2 (0.53) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL5233013 0.80 AVPR2 (0.64) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL7319409 0.77 AVPR2 (0.66) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL5235081 0.77 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL5239857 0.76 AVPR1A (0.52) AVPR2AVPR1AHPGDALDH1A1KMT2A
SCHEMBL8820844 0.74 AVPR2 (0.54) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL19454364 0.70 ALDH1A1 (0.45) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL6985203 0.70 AVPR1A (0.61) AVPR2AVPR1A
SCHEMBL19454369 0.68 AVPR2 (0.41) AVPR2AVPR1AALDH1A1RAB9AKMT2A
SCHEMBL9059366 0.67 AVPR2 (0.61) AVPR2AVPR1AHPGDALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed