SCHEMBL9537818

SCHEMBL9537818

COc1ccc2c(c1)nc(CC1CCN(Cc3ccccc3)CC1)n2Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.56
HTR1A P08908 2/20 0.52
HTR3A P46098 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
EED O75530 2/20 0.49
TBXA2R P21731 2/20 0.49
TACR2 P21452 2/20 0.49
TACR1 P25103 2/20 0.49
HRH1 P35367 2/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 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
SCHEMBL9537805 0.93 SSTR5 (0.56) SSTR5HTR1AHTR3AHTTEED
SCHEMBL9536730 0.88 SSTR5 (0.52) SSTR5HTR1AHTR3AHTR3EHTR3B
SCHEMBL9537835 0.86 SSTR5 (0.59) SSTR5HTTALDH1A1TBXA2RHRH1
SCHEMBL10547393 0.85 KCNH2 (0.46) SSTR5MEN1DRD2DRD4KMT2A
SCHEMBL9536543 0.85 SSTR5 (0.66) SSTR5ALDH1A1HRH1MEN1ABCB11
Oxalic Acid SCHEMBL10549021 0.84 KMT2A (0.53) ALDH1A1POLBMEN1LMNADRD2
Oxalic Acid SCHEMBL10549014 0.84 KMT2A (0.53) ALDH1A1POLBMEN1LMNADRD2
Hydrochloric Acid SCHEMBL9539127 0.83 KCNH2 (0.56) SSTR5HTR1AHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL9537185 0.83 HTR1A (0.57) SSTR5HTR1AHTR3AHTTEED
SCHEMBL9540175 0.83 KCNH2 (0.71) SSTR5HTR1AHTR3AHTTEED

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-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