SCHEMBL6616443

SCHEMBL6616443

Cc1ccccc1C(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 4/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ PAX8 Q06710 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ AVPR2 P30518 4/20 0.37
▸ PTGES O14684 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ AVPR1A P37288 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ GLP1R P43220 1/20 0.36

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
SCHEMBL6618795 0.92 HRH3 (0.40) PAX8MAPTPTGESHRH3
SCHEMBL6616751 0.91 CRACR2A (0.45) CRACR2AMAPTALDH1A1AVPR2PTGES
SCHEMBL6615270 0.90 CRACR2A (0.44) CRACR2AMAPTALDH1A1
SCHEMBL6619198 0.90 CRACR2A (0.44) CRACR2AMAPTAVPR2PTGESDHODH
SCHEMBL6616448 0.89 EPHX2 (0.40) PAX8MAPTALDH1A1HRH3
SCHEMBL6617233 0.88 NPC1 (0.43) CRACR2AMAPT
SCHEMBL6616656 0.88 LMNA (0.39) CCR3MAPTALDH1A1CHRM1HRH3
SCHEMBL6614045 0.88 EPHX2 (0.41) MAPTPTGESHRH3
SCHEMBL6615915 0.88 PAX8 (0.49) CCR3PAX8MAPTCHRM1KCNMA1
SCHEMBL6618455 0.87 LMNA (0.39) CRACR2AMAPTALDH1A1DHODHCHRM1

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
Send feedback