SCHEMBL9598308

SCHEMBL9598308

Brc1cccc(OCc2ccc3ccccc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.48
▸ CNR1 P21554 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ HTR7 P34969 2/20 0.46
▸ ALOX5 P09917 6/20 0.45
▸ TLR4 O00206 1/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL5183 0.83 HTR7 (0.51) HTR7ALOX5ALDH1A1MAOB
SCHEMBL29574709 0.83 HTR7 (0.51) HTR7ALOX5ALDH1A1MAOB
SCHEMBL26971102 0.81 NPC1 (0.61) RAB9AHTR7NPC1ALDH1A1CYP2D6
SCHEMBL1192486 0.79 MAOB (0.55) HTR7CYP2D6CYP2C19CYP1A2MAOB
SCHEMBL22127150 0.79 GABRA5 (0.47) RAB9ACNR1CNR2ALOX5TLR4
SCHEMBL25930635 0.79 MAOB (0.51) RAB9AHTR7NPC1ALDH1A1CYP2D6
SCHEMBL26971159 0.79 HTR7 (0.47) RAB9AHTR7NPC1ALDH1A1CYP2D6
SCHEMBL8726267 0.79 MAOB (0.51) RAB9AHTR7NPC1MAOB
SCHEMBL9598864 0.78 CNR1 (0.48) RAB9ACNR1CNR2ALOX5NPC1
SCHEMBL8265170 0.78 MAOB (0.48) HTR7MAOB

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-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 — — US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 — — US disclosed
Send feedback