SCHEMBL14129682

SCHEMBL14129682

Cc1ccc(C#Cc2ccc(C)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.53
ACACB O00763 1/20 0.46
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KCNH2 Q12809 1/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL12353122 0.92 GRM5 (0.59) GRM5ACACBCA12CA1CA2
SCHEMBL3955825 0.88 GRM5 (0.54) GRM5HDAC6
SCHEMBL30833070 0.88 GRM5 (0.54) GRM5HDAC6
Hydrochloric Acid SCHEMBL4309309 0.86 GRM5 (0.53) GRM5HDAC6
SCHEMBL9495802 0.86 ACACB (0.46) GRM5ACACB
SCHEMBL4147154 0.86 MCHR1 (0.53) GRM5ACACBKCNH2
SCHEMBL9495233 0.85 GRM5 (0.47) GRM5ACACB
SCHEMBL14129685 0.85 CYP1A2 (0.49) GRM5CCR1CCR5CCR8HDAC6
SCHEMBL12884288 0.85 GRM5 (0.44) GRM5ACACBCCR1CCR5CCR8
SCHEMBL9495556 0.84 ACACB (0.54) GRM5ACACB

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-7393598-B2 Light emitting molecules and organic light emitting devices including light emitting molecules HCF PARTNERS, L.P. (US) 2008-07-01 US disclosed