SCHEMBL11678809

SCHEMBL11678809

ClCCCCCc1ccc2c(c1)Cc1cc(CCCCCCl)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IGF1R P08069 3/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ CYP17A1 P05093 1/20 0.34

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
SCHEMBL15791686 0.84 GPR84 (0.43) GPR84TSHRALDH1A1ATMNPSR1
SCHEMBL16682975 0.83 GRIN2B (0.38) IGF1RALOX15S1PR1CDK1
SCHEMBL4895814 0.81 HTR2A (0.55) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL30369240 0.81 HTR2A (0.55) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL4900272 0.81 HTR2A (0.55) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL4887234 0.81 HTR2A (0.55) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL4898274 0.81 HTR2A (0.55) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL22685045 0.81 GRIN2B (0.38) IGF1RALOX15S1PR1
SCHEMBL11750577 0.81 HTR2A (0.36) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11801336 0.81 HDAC1 (0.38) HTR2ADRD2SLC6A2HTR2CSLC6A4

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
US-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
US-3947593-A ANTIVIRUL AGENTS RICHARDSON-MERRELL INC. (US) 1976-03-30 — — US disclosed
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