SCHEMBL3243898

SCHEMBL3243898

c1cc2c(c(OC3CC[N]CC3)c1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.40
▸ BAD Q92934 1/20 0.40
▸ RXRA P19793 5/20 0.38
▸ RXRB P28702 4/20 0.38
▸ RXRG P48443 4/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ MCHR1 Q99705 2/20 0.35
▸ ACACB O00763 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ DRD4 P21917 1/20 0.35

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
SCHEMBL4716663 0.80 CD44 (0.45) HTR2CHTR2B
Hydrochloric Acid SCHEMBL6964619 0.76 SLC6A4 (0.49) BCL2L1BADRXRARXRBRXRG
SCHEMBL6964699 0.76 HTR1A (0.49) HTR2CHTR2B
Hydrochloric Acid SCHEMBL6966923 0.75 HTR1A (0.48) HTR2CHTR2B
SCHEMBL3125795 0.73 SIGMAR1 (0.48) BCL2L1BAD
Hydrochloric Acid SCHEMBL6962641 0.73 SLC6A4 (0.49) RXRARXRBRXRGHTR2CHTR2B
SCHEMBL2096545 0.72 CTSV (0.41) MCHR1
SCHEMBL911314 0.72 SLC6A4 (0.49) —
SCHEMBL911313 0.72 SLC6A4 (0.49) —
SCHEMBL31312989 0.72 BCL2L1 (0.54) BCL2L1BADRXRARXRBRXRG

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
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