SCHEMBL9537449

SCHEMBL9537449

Fc1ccc(Cn2c(CC3CCN(Cc4ccccc4)CC3)nc3cnccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.52
CCR3 P51677 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL9538842 0.92 SSTR5 (0.52) SSTR5CCR3HRH3ALDH1A1RAB9A
SCHEMBL9536543 0.89 SSTR5 (0.66) SSTR5ALDH1A1RAB9AMEN1CYP1A2
SCHEMBL9537500 0.84 KCNH2 (0.46) HRH3RAB9ACYP2D6
SCHEMBL9564956 0.83 CYP1A2 (0.54) SSTR5CCR3ALDH1A1CYP1A2CYP2D6
SCHEMBL9537151 0.83 SSTR5 (0.59) SSTR5ALDH1A1RAB9AMEN1CYP1A2
SCHEMBL9536730 0.83 SSTR5 (0.52) SSTR5RAB9AMEN1KMT2A
SCHEMBL9537851 0.82 MEN1 (0.56) SSTR5CCR3HRH3ALDH1A1MEN1
SCHEMBL10547773 0.82 HTR1A (0.56) SSTR5HRH3MEN1CYP1A2CYP2D6
SCHEMBL9536547 0.82 SSTR5 (0.52) SSTR5CCR3ALDH1A1SLC6A4SLC6A3
SCHEMBL5626341 0.81 MEN1 (0.66) SSTR5CCR3ALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed