SCHEMBL4559955

SCHEMBL4559955

O=Cc1cc(C(F)(F)F)nn1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.41
▸ GRM2 Q14416 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL31532384 0.78 LMNA (0.40) TGFBR1GAAPOLBLMNA
SCHEMBL21780683 0.76 CRHR1 (0.57) CRHR1GRM2TGFBR1GAAPOLB
SCHEMBL21768453 0.76 GRM2 (0.46) CRHR1GRM2CNR2TGFBR1GAA
SCHEMBL20283020 0.75 CNR1 (0.33) GRM2CNR2CNR1POLBLMNA
SCHEMBL2686133 0.74 CRHR1 (0.39) CRHR1GRM2CNR2TGFBR1GAA
SCHEMBL18695205 0.74 TP53 (0.41) GAAPOLBLMNA
SCHEMBL25370431 0.74 CRHR1 (0.42) CRHR1GRM2CNR2TGFBR1GAA
SCHEMBL27783208 0.73 LMNA (0.40) CNR2CNR1LMNA
SCHEMBL19105610 0.73 CRHR1 (0.41) CRHR1GRM2CNR2TGFBR1GAA
SCHEMBL18695253 0.72 TP53 (0.45) CNR2GAACNR1LMNA

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
EP-2638034-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 — — EP disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 — — WO disclosed
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