SCHEMBL9196229

SCHEMBL9196229

O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 15/20 0.66
TACR1 P25103 2/20 0.66
TACR2 P21452 1/20 0.66
TP53 P04637 1/20 0.52
CYP2D6 P10635 6/20 0.50
KCNH2 Q12809 4/20 0.49
SSTR5 P35346 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
CHRM1 P11229 1/20 0.48

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
SCHEMBL15568226 0.91 HRH1 (0.63) HRH1TACR1TACR2KCNH2
SCHEMBL9259609 0.91 HRH1 (0.67) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL15569315 0.90 HRH1 (0.62) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9259200 0.89 HRH1 (0.63) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9264751 0.88 HRH1 (0.72) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9259670 0.88 HRH1 (0.69) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9266568 0.87 HRH1 (0.66) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL9264591 0.86 HRH1 (0.62) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL7958395 0.86 HRH1 (0.64) HRH1TACR1TACR2TP53CYP2D6
SCHEMBL7474308 0.85 HRH1 (0.62) HRH1TACR1TACR2TP53CYP2D6

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-0363963-B1 Piperidinyl benzimidazoles as antihistamines MERRELL DOW PHARMA (US) 1995-04-26 EP disclosed
US-5182399-A Process for preparing piperidinyl benzimidazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-26 US disclosed
EP-0363963-A1 Piperidinyl benzimidazoles as antihistamines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-18 EP disclosed
US-4908372-A Antihistaminic piperidinyl benzimidazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US disclosed