SCHEMBL7205645

SCHEMBL7205645

OC1(c2ccc(Cl)cc2)CCN(CC/C=C2/c3ccccc3OCc3ncccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.61
CHRM2 P08172 1/20 0.49
CCR5 P51681 1/20 0.49
OPRM1 P35372 2/20 0.43
OPRL1 P41146 1/20 0.43
CCR3 P51677 3/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 4/20 0.42
HTR1A P08908 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL7205649 1.00 CCR1 (0.61) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL14419959 0.93 CCR1 (0.66) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL13824477 0.93 CCR1 (0.66) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL13824474 0.91 CCR1 (0.53) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL7206934 0.91 CCR1 (0.64) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL7206932 0.91 CCR1 (0.64) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL7206191 0.90 CCR1 (0.57) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL7206194 0.90 CCR1 (0.57) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL18895949 0.90 CCR1 (0.65) CCR1CHRM2CCR5OPRM1OPRL1
SCHEMBL10287601 0.90 CCR1 (0.63) CCR1CHRM2CCR5DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613905-B1 Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US disclosed