SCHEMBL7968223

SCHEMBL7968223

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1ccn2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.40
AVPR1A P37288 4/20 0.40
AVPR1B P47901 4/20 0.40
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP3K7 O43318 3/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36

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
Hydrochloric Acid SCHEMBL7965888 0.99 AVPR2 (0.39) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7954943 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7962073 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7968882 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7482474 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7971911 0.91 MAP3K7 (0.35) AVPR2AVPR1AAVPR1BMAP3K7TUBB4A
SCHEMBL7964896 0.90 PPARG (0.43) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7964063 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7962145 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7338979 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7IRAK4

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed