SCHEMBL7653635

SCHEMBL7653635

CCCCc1ccc(C(=O)N(CC)CCN2CCNC2=C(C#N)C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MLYCD O95822 2/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL7654559 0.86 MLYCD (0.39) OPRM1OPRD1OPRK1HPGDMLYCD
SCHEMBL7658683 0.86 HRH3 (0.42) OPRM1OPRD1
SCHEMBL7665084 0.67 HRH3 (0.34) OPRM1OPRD1OPRK1GAAHPGD
SCHEMBL2399439 0.65 THRA (0.61)
SCHEMBL3185726 0.65 THRA (0.61)
SCHEMBL11193016 0.65 SIGMAR1 (0.55) HPGDMGLL
SCHEMBL4394520 0.64 HRH3 (0.37)
SCHEMBL10893592 0.64 RARB (0.57) HPGD
SCHEMBL3563407 0.63 ESR1 (0.58) GAAHPGDMLYCD
SCHEMBL7656144 0.62 HRH3 (0.33)

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
WO-2002085861-A1 IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 US disclosed