SCHEMBL11366707

SCHEMBL11366707

Clc1ccc2cc(CC3CCNCC3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
KCNH2 Q12809 2/20 0.46
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR3A P46098 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR4 Q13639 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ACP1 P24666 2/20 0.42
P2RX7 Q99572 1/20 0.41
KDM1A O60341 2/20 0.40

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
SCHEMBL1581852 0.83 GBA1 (0.62) GBA1KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL894700 0.83 GBA1 (0.66) GBA1KCNH2SLC6A4HTR3APRMT5
Hydrochloric Acid SCHEMBL7403430 0.82 GBA1 (0.61) GBA1KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL13576622 0.82 EED (0.54) KCNH2SLC6A4SLC6A2SLC6A3P2RX7
Hydrochloric Acid SCHEMBL6968488 0.81 GBA1 (0.63) GBA1KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL3166228 0.80 GBA1 (0.62) GBA1SLC6A4HTR2CHTR2BACP1
Hydrochloric Acid SCHEMBL18280022 0.79 SLC6A4 (0.55) GBA1KCNH2SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL18280203 0.79 GBA1 (0.61) GBA1SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL28128625 0.78 SLC6A4 (0.63) GBA1KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL1691782 0.78 PRMT5 (0.65) GBA1KCNH2SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4246268-A ANTIPSYCHOTICS, TRANQUILIZERS, NEUROLEPTICS COMPOUNDS AND NOVEL INTERMEDIATES RICHARDSON-MERRELL INC. (US) 1981-01-20 US disclosed