SCHEMBL7970296

SCHEMBL7970296

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.36
PTK2 Q05397 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
AVPR1B P47901 2/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33

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
SCHEMBL7954164 0.92 AVPR2 (0.39) MAP3K7PTK2LRRK2KMT2AATM
Hydrochloric Acid SCHEMBL7968028 0.91 AVPR2 (0.39) MAP3K7PTK2LRRK2KMT2AATM
SCHEMBL7975517 0.90 MAP3K7 (0.36) MAP3K7LRRK2AVPR2AVPR1AAVPR1B
SCHEMBL7975530 0.90 HRH4 (0.36) MAP3K7AVPR2AVPR1AAVPR1B
SCHEMBL7978093 0.89 MAP3K7 (0.35) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7962164 0.89 HRH4 (0.35) MAP3K7PTK2AVPR2AVPR1AAVPR1B
SCHEMBL7975515 0.89 HRH4 (0.35) MAP3K7AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7480957 0.89 MAP3K7 (0.43) MAP3K7PTK2IRAK4HDAC3HDAC4
Hydrochloric Acid SCHEMBL7968777 0.89 HRH4 (0.35) MAP3K7AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7476852 0.89 MAPK11 (0.36) MAP3K7LRRK2HDAC3HDAC4HDAC1

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