SCHEMBL7342170

SCHEMBL7342170

Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OCCCCCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 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
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL7334833 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7335732 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8010702 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7346621 0.87 MEN1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7345676 0.85 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7346660 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7424282 0.83 AVPR2 (0.49) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8010692 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7347547 0.83 CYP1A2 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7342762 0.82 AVPR2 (0.41) ALDH1A1CYP1A2CYP3A4AVPR2AVPR1A

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