SCHEMBL27371963

SCHEMBL27371963

c1ccc(CCn2ccnc2C2CCCCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
LTA4H P09960 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL28019128 0.81 HRH3 (0.42) KMT2AMEN1HRH3SLC6A3HTT
SCHEMBL27460790 0.80 P2RX4 (0.35) POLBKMT2ASMN1; SMN2HRH3HTT
SCHEMBL28638180 0.72 TAAR1 (0.42) POLBTAAR1KMT2ACYP2C19MEN1
SCHEMBL13374859 0.72 KCNH2 (0.44) TAAR1KMT2ACYP2C19MEN1CYP2D6
SCHEMBL3852893 0.72 KCNH2 (0.44) TAAR1KMT2ACYP2C19MEN1CYP2D6
SCHEMBL8866412 0.68 SIGMAR1 (0.42) POLB
SCHEMBL23878272 0.68 TAAR1 (0.47) POLBTAAR1CHRNB2CHRNA7CHRNA4
SCHEMBL27757638 0.67 KCNH2 (0.48) KMT2ACYP2C19MEN1CYP2D6CYP1A2
SCHEMBL25241870 0.67 LMNA (0.43) POLBKMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL11836556 0.66 SLC6A3 (0.49) HRH3SLC6A3HTT

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
CN-1083453-C Fused imidazole derivatives as multidrug resistance modulators JANSSEN PHARMACEUTICA NV (BE) 2002-04-24 CN disclosed
CN-1211985-A Fused imidazole derivatives as multidrug resistance modulators JANSSEN PHARMACEUTICA NV (BE) 1999-03-24 CN disclosed