SCHEMBL7340725

SCHEMBL7340725

Cc1cc(C(=O)N2Cc3cccn3-c3ccccc32)ccc1NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.48
AVPR1A P37288 7/20 0.48
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OXTR P30559 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL8317804 0.86 AVPR1A (0.65) AVPR2AVPR1A
SCHEMBL7415990 0.83 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL7341505 0.82 MAPT (0.45) AVPR2AVPR1ACYP1A2MAPTCYP2C9
SCHEMBL7342042 0.80 AVPR2 (0.55) AVPR2AVPR1ACYP1A2MAPTCYP2C9
SCHEMBL7412261 0.77 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL7331708 0.77 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL7410542 0.76 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL7340028 0.76 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7320842 0.75 AVPR1A (0.67) AVPR2AVPR1AOXTRPOLBHPGD
SCHEMBL7409772 0.75 AVPR2 (0.63) AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889001-A TREATING CONDITIONS WHERE DECREASED VASOPRESSIN LEVELS ARE DESIRED AND DISEASES WITH EXCESS RENAL WATER REABSORPTION AMERICAN CYANAMID COMPANY (US) 1999-03-30 US disclosed
US-5854237-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
US-5843944-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US disclosed
US-5736540-A CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-04-07 US disclosed
US-5733905-A CONGESTIVE HEART FAILURE; KIDNEY DISORDERS AMERICAN CYANAMID COMPANY (US) 1998-03-31 US disclosed