SCHEMBL7424282

SCHEMBL7424282

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.49
AVPR1A P37288 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7369636 0.96 AVPR2 (0.46) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL8639834 0.89 AVPR2 (0.52) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL7480359 0.88 NPC1 (0.38) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL8662244 0.88 AVPR2 (0.47) AVPR2AVPR1AMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL7374737 0.87 KCNA5 (0.40) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL7347547 0.87 CYP1A2 (0.46) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL7966792 0.86 HPGD (0.42) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL7751032 0.86 HPGD (0.52) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL7346621 0.86 MEN1 (0.43) AVPR2AVPR1AMEN1KMT2AHPGD
SCHEMBL7345676 0.86 KMT2A (0.43) AVPR2AVPR1AMEN1KMT2AHPGD

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