SCHEMBL7480359

SCHEMBL7480359

Cc1ccc(N(C)C(=O)c2ccccc2)c(OCCCCC(=C=O)N2CCN(C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
KCNA5 P22460 2/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 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
SCHEMBL7424282 0.88 AVPR2 (0.49) NPC1AVPR2AVPR1AALDH1A1POLB
SCHEMBL8008767 0.87 POLB (0.36) NPC1ALDH1A1POLBMEN1HPGD
SCHEMBL7998651 0.87 ALDH1A1 (0.34) NPC1AVPR2AVPR1AALDH1A1POLB
Hydrochloric Acid SCHEMBL8022968 0.86 NPC1 (0.42) NPC1MEN1HPGDKMT2AKDM4E
SCHEMBL7476628 0.86 POLB (0.35) ALDH1A1POLBMEN1HPGDKMT2A
SCHEMBL8509973 0.85 AVPR2 (0.39) AVPR2AVPR1A
SCHEMBL8010692 0.84 ALDH1A1 (0.42) NPC1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7369636 0.84 AVPR2 (0.46) NPC1AVPR2AVPR1AALDH1A1POLB
SCHEMBL8010702 0.84 ALDH1A1 (0.41) NPC1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7967025 0.81 MAPT (0.39) ALDH1A1KDM4ESMN1; SMN2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed