SCHEMBL7968552

SCHEMBL7968552

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RAB9A P51151 2/20 0.38
MAP3K7 O43318 3/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HPGD P15428 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
AVPR1B P47901 1/20 0.35
ADRA1D P25100 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
Hydrochloric Acid SCHEMBL7971982 0.92 MAP3K7 (0.37) MAP3K7MAPTIRAK4LMNAAVPR2
SCHEMBL7975598 0.92 HDAC8 (0.44) HDAC8MEN1KMT2ARAB9AMAP3K7
Hydrochloric Acid SCHEMBL7955818 0.91 HDAC8 (0.44) HDAC8MEN1KMT2ARAB9AMAP3K7
SCHEMBL7975461 0.90 MAP3K7 (0.37) MAP3K7MAPTIRAK4ABCB1AVPR2
SCHEMBL7473083 0.89 MAP3K7 (0.37) MAP3K7IRAK4ABCB1AVPR2AVPR1A
SCHEMBL7474290 0.89 MAP3K7 (0.37) MAP3K7IRAK4ABCB1AVPR2AVPR1A
SCHEMBL7597522 0.89 MAP3K7 (0.36) MAP3K7IRAK4ABCB1AVPR2AVPR1A
Hydrochloric Acid SCHEMBL7480957 0.89 MAP3K7 (0.43) HDAC8MAP3K7IRAK4
SCHEMBL7975517 0.88 MAP3K7 (0.36) HDAC8MAP3K7IRAK4ABCB1AVPR2
SCHEMBL7961822 0.88 MAP3K7 (0.35) MAP3K7IRAK4AVPR2AVPR1AAVPR1B

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-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