SCHEMBL7345845

SCHEMBL7345845

CN1CCN(C(=O)CCCOc2ccccc2N(C)C(=O)c2ccc(NC(=O)c3ccccc3O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
AVPR2 P30518 2/20 0.42
AVPR1A P37288 2/20 0.42
AVPR1B P47901 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAMPT P43490 2/20 0.39

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
SCHEMBL7337768 0.97 AVPR2 (0.42) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B
SCHEMBL7347838 0.90 POLB (0.44) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7346264 0.89 POLB (0.43) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B
SCHEMBL7363679 0.89 GAA (0.48) MEN1KMT2APOLBMAPTTAAR1
SCHEMBL7335641 0.88 NAMPT (0.41) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7338749 0.88 POLB (0.43) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B
SCHEMBL7341462 0.88 POLB (0.43) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B
SCHEMBL7343269 0.88 AVPR2 (0.41) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B
SCHEMBL7370995 0.87 AVPR2 (0.48) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7337084 0.87 POLB (0.43) RAB9ASMN1; SMN2AVPR2AVPR1AAVPR1B

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 4 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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed