SCHEMBL7342015

SCHEMBL7342015

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cn1)c1ccccc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.57
OXTR P30559 2/20 0.57
AVPR1A P37288 2/20 0.57
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 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
SCHEMBL7337847 0.87 AVPR2 (0.52) AVPR2OXTRAVPR1ACHRNB2CHRNB4
SCHEMBL7337085 0.87 AVPR2 (0.63) AVPR2OXTRAVPR1A
SCHEMBL7342147 0.83 SMN1; SMN2 (0.46) AVPR2OXTRAVPR1ARAB9ASMN1; SMN2
SCHEMBL7335695 0.82 AVPR2 (0.58) AVPR2OXTRAVPR1A
SCHEMBL7338077 0.82 AVPR2 (0.77) AVPR2OXTRAVPR1A
SCHEMBL7338219 0.82 AVPR2 (0.62) AVPR2OXTRAVPR1A
SCHEMBL7371679 0.82 AVPR1A (0.53) AVPR2OXTRAVPR1A
SCHEMBL7335534 0.81 AVPR2 (0.57) AVPR2OXTRAVPR1A
SCHEMBL5739983 0.81 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL7334184 0.81 TP53 (0.47) AVPR2OXTRAVPR1ACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed