SCHEMBL7344704

SCHEMBL7344704

COc1cc(C(=O)N(C)c2ccccc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.45
AVPR1A P37288 6/20 0.45
AVPR1B P47901 5/20 0.45
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAP3K7 O43318 4/20 0.40
KCNMA1 Q12791 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL7339127 0.93 AVPR2 (0.44) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7342655 0.92 AVPR2 (0.43) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7340679 0.91 AVPR2 (0.49) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7337716 0.91 AVPR2 (0.44) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7374171 0.91 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL7338793 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7341258 0.90 AVPR2 (0.45) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7743965 0.89 AVPR2 (0.52) AVPR2AVPR1AAVPR1B
SCHEMBL7337768 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL8008232 0.88 ALDH1A1 (0.47) AVPR2AVPR1AAVPR1BMEN1KMT2A

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed