SCHEMBL8628617

SCHEMBL8628617

COC1(OCCn2cncn2)CCCc2cc(Cl)ccc2N1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.40
AVPR2 P30518 6/20 0.40
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
AVPR1B P47901 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
WDR5 P61964 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL8627408 0.89 AVPR1A (0.40) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL8634013 0.86 AVPR1A (0.42) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL8627393 0.85 AVPR1A (0.40) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL8631000 0.83 AVPR1A (0.39) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL8628507 0.83 AVPR1A (0.39) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL8634475 0.82 AVPR2 (0.42) AVPR1AAVPR2KMT2ALMNATP53
Hydrochloric Acid SCHEMBL8632564 0.81 AVPR2 (0.46) AVPR1AAVPR2AVPR1B
SCHEMBL8634477 0.80 AVPR2 (0.38) AVPR1AAVPR2KMT2ALMNATP53
SCHEMBL8627133 0.80 AVPR2 (0.40) AVPR1AAVPR2KMT2ALMNATP53
Hydrochloric Acid SCHEMBL8627391 0.79 AVPR2 (0.42) AVPR1AAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed