SCHEMBL7136350

SCHEMBL7136350

[CH2]c1ccc(C#N)c(CCl)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.34
▸ NOS2 P35228 7/20 0.31
▸ NOS3 P29474 6/20 0.31
▸ NOS1 P29475 6/20 0.31
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ VCAM1 P19320 1/20 0.30

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
SCHEMBL27756123 0.78 IMPDH2 (0.37) TRPV4NOS2NOS3NOS1VCAM1
SCHEMBL28286565 0.76 MAOA (0.41) TRPV4MAOAMAOB
SCHEMBL16824548 0.76 MAOA (0.41) TRPV4MAOAMAOB
SCHEMBL9541780 0.73 — —
SCHEMBL2639309 0.73 MAOB (0.42) TRPV4MAOAMAOB
SCHEMBL7005991 0.72 TRPV4 (0.57) TRPV4MAOAMAOB
Chloroform SCHEMBL28286554 0.72 MAOA (0.38) TRPV4MAOAMAOB
SCHEMBL1434373 0.70 CYP19A1 (0.46) —
SCHEMBL16824552 0.69 MAOA (0.36) TRPV4MAOAMAOB
SCHEMBL8860681 0.68 TSHR (0.48) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158983-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2003-05-21 — — EP disclosed
EP-1227800-A1 OSMOTIC CONTROLLED RELEASE DRUG DELIVERY DEVICE Merck & Co., Inc. (US) 2002-08-07 — — EP disclosed
EP-1202747-A1 SUSTAINED RELEASE DRUG DISPERSION DELIVERY DEVICE Merck & Co., Inc. (US) 2002-05-08 — — EP disclosed
EP-1158983-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 — — EP disclosed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 — — EP disclosed
WO-2001045704-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-06-28 — — WO disclosed
WO-2001045707-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-06-28 — — WO disclosed
WO-2001032149-A1 OSMOTIC CONTROLLED RELEASE DRUG DELIVERY DEVICE MERCK & CO., INC. (US) 2001-05-10 — — WO disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 — — EP disclosed
WO-2001007437-A1 CRYSTAL FORMS OF 1-(3-CHLOROPHENYL)-4-[1-(4-CYANOBENZYL)-5-IMIDAZOLYLMETHYL]-2-PIPERAZINONE MERCK & CO., INC. (US) 2001-02-01 — — WO disclosed
WO-2001005430-A1 SUSTAINED RELEASE DRUG DISPERSION DELIVERY DEVICE MERCK & CO., INC. (US) 2001-01-25 — — WO disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 — — WO disclosed
WO-2000051612-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 — — WO disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 — — WO disclosed
WO-2000001691-A1 PROCESS FOR MAKING FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-01-13 — — WO disclosed
WO-2000001674-A1 PROCESS FOR MAKING 1,5-DISUBSTITUTED IMIDAZOLES MERCK & CO., INC. (US) 2000-01-13 — — WO disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 — — WO disclosed
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