SCHEMBL9540172

SCHEMBL9540172

CC(=O)CCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
HRH1 P35367 6/20 0.52
TACR2 P21452 1/20 0.52
TACR1 P25103 1/20 0.52
CYP2D6 P10635 5/20 0.51
KCNH2 Q12809 4/20 0.51
CHRM1 P11229 2/20 0.51
SSTR5 P35346 2/20 0.49
NR4A2 P43354 1/20 0.49
MCHR1 Q99705 1/20 0.49

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
Oxalic Acid SCHEMBL9536322 0.97 TP53 (0.53) TP53RAB9AHRH1TACR2TACR1
Oxalic Acid SCHEMBL10547004 0.97 TP53 (0.53) TP53RAB9AHRH1TACR2TACR1
Bromide SCHEMBL9537547 0.88 HRH1 (0.48) TP53RAB9AHRH1TACR2TACR1
Bromide SCHEMBL9536723 0.88 HRH1 (0.48) TP53RAB9AHRH1TACR2TACR1
SCHEMBL9537554 0.87 HRH1 (0.63) TP53RAB9AHRH1TACR2TACR1
Hydrochloric Acid SCHEMBL9539517 0.86 HRH1 (0.62) TP53RAB9AHRH1TACR2TACR1
Oxalic Acid SCHEMBL10552513 0.85 SSTR5 (0.51) TP53RAB9AHRH1TACR2TACR1
Hydrochloric Acid SCHEMBL9537670 0.85 RAB9A (0.55) TP53RAB9AHRH1TACR2TACR1
SCHEMBL9536663 0.85 RAB9A (0.55) TP53RAB9AHRH1TACR2TACR1
Fumaric Acid SCHEMBL10551533 0.85 TP53 (0.47) TP53RAB9AHRH1TACR2TACR1

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