SCHEMBL7206932

SCHEMBL7206932

Oc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.64
CHRM2 P08172 1/20 0.52
CCR5 P51681 1/20 0.52
DRD2 P14416 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR3 P51677 2/20 0.38

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
SCHEMBL7206934 1.00 CCR1 (0.64) CCR1CHRM2CCR5DRD2OPRM1
SCHEMBL10287870 0.95 CCR1 (0.66) CCR1CHRM2CCR5DRD2OPRM1
SCHEMBL14419959 0.94 CCR1 (0.66) CCR1CHRM2CCR5DRD2OPRM1
SCHEMBL13824477 0.94 CCR1 (0.66) CCR1CHRM2CCR5DRD2OPRM1
SCHEMBL13824314 0.93 CCR1 (0.63) CCR1CHRM2CCR5DRD2OPRM1
SCHEMBL12121890 0.92 CCR1 (0.54) CCR1CHRM2CCR5DRD2
SCHEMBL10287601 0.91 CCR1 (0.63) CCR1CHRM2CCR5DRD2
SCHEMBL10288263 0.91 CCR1 (0.63) CCR1CHRM2CCR5DRD2OPRM1
SCHEMBL18895949 0.91 CCR1 (0.65) CCR1CHRM2CCR5DRD2OPRM1
SCHEMBL7205645 0.91 CCR1 (0.61) CCR1CHRM2CCR5DRD2OPRM1

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