SCHEMBL8559724

SCHEMBL8559724

Cn1cc2c(n1)-c1ccccc1N(C(=O)c1ccc(N)cc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.51
AVPR1A P37288 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 4/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.46
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.41
STAT3 P40763 1/20 0.40
TSHR P16473 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
SCHEMBL8558397 0.85 SMN1; SMN2 (0.47) AVPR2AVPR1ASMN1; SMN2RAB9AKMT2A
SCHEMBL7319409 0.81 AVPR2 (0.66) AVPR2AVPR1ASMN1; SMN2RAB9AKMT2A
SCHEMBL8819120 0.80 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8820731 0.80 AVPR1A (0.63) AVPR2AVPR1A
SCHEMBL8559469 0.80 AVPR2 (0.65) AVPR2AVPR1ASMN1; SMN2RAB9AKMT2A
SCHEMBL8820647 0.78 AVPR2 (0.50) AVPR2AVPR1ASMN1; SMN2RAB9A
SCHEMBL8820706 0.78 AVPR1A (0.60) AVPR2AVPR1AALDH1A1
SCHEMBL8820413 0.78 AVPR2 (0.56) AVPR2AVPR1AKMT2AMEN1
SCHEMBL8818380 0.78 AVPR2 (0.60) AVPR2AVPR1AALDH1A1
SCHEMBL8820751 0.78 AVPR1A (0.67) AVPR2AVPR1A

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
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed