SCHEMBL10780432

SCHEMBL10780432

Cc1cc2[nH]c(C)c(C(=O)NC3CCN(CCCc4ccccc4)CC3)c2cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 6/20 0.55
▸ CXCR3 P49682 1/20 0.47
▸ PDGFRB P09619 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ FGFR3 P22607 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ DVL1 O14640 2/20 0.44
▸ DVL3 Q92997 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ ADRA1D P25100 1/20 0.44

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
SCHEMBL10779581 0.95 DRD4 (0.54) DRD4CXCR3PDGFRBFGFR1PDGFRA
Hydrochloric Acid SCHEMBL10784337 0.93 DRD4 (0.52) DRD4CXCR3PDGFRBFGFR1PDGFRA
SCHEMBL10780527 0.91 DRD4 (0.52) DRD4CXCR3PDGFRBFGFR1PDGFRA
Isopropyl Alcohol SCHEMBL11011590 0.91 DRD4 (0.50) DRD4CXCR3PDGFRBFGFR1PDGFRA
SCHEMBL10782129 0.88 DRD4 (0.54) DRD4CXCR3SIGMAR1KCNH2
SCHEMBL10783772 0.87 DRD4 (0.61) DRD4CXCR3SIGMAR1ADRA2AADRA2B
SCHEMBL10780851 0.86 DRD4 (0.50) DRD4CXCR3PDGFRBFGFR1PDGFRA
SCHEMBL10779342 0.86 DRD4 (0.50) DRD4CXCR3SIGMAR1GAAKMT2A
SCHEMBL10784433 0.86 DRD4 (0.55) DRD4CXCR3SIGMAR1
SCHEMBL10780039 0.86 DRD4 (0.53) DRD4CXCR3SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150505-B1 3-INDOLECARBOXAMIDE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-01 — — EP disclosed
US-4581355-A HYPOTENSIVE AGENTS, LIPOXYGENASE INHIBITORS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-04-08 — — US disclosed
EP-0150505-A2 3-Indolecarboxamide compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-08-07 — — EP disclosed
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