SCHEMBL7472124

SCHEMBL7472124

CCCCCNc1nc(CC)c(-c2ccc(OCCCCC)cc2Cl)nc1OC

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.53
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL7479379 0.94 CRHR1 (0.57) CRHR1
SCHEMBL7474607 0.90 CRHR1 (0.60) CRHR1LIMK1LIMK2CNR1
SCHEMBL7472862 0.89 CRHR1 (0.61) CRHR1LIMK1LIMK2CNR1
SCHEMBL7475201 0.84 CRHR1 (0.68) CRHR1CNR1
SCHEMBL7472159 0.83 CRHR1 (0.54) CRHR1
SCHEMBL7477544 0.83 CRHR1 (0.55) CRHR1LIMK1LIMK2CNR1
SCHEMBL7476944 0.82 CRHR1 (0.60) CRHR1
SCHEMBL7606978 0.82 CRHR1 (0.59) CRHR1
SCHEMBL6203666 0.80 CRHR1 (0.50) CRHR1CNR1
SCHEMBL7482439 0.80 CRHR1 (0.53) CRHR1

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-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP claimed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO claimed