SCHEMBL9687600

SCHEMBL9687600

Nc1ccc(C(=O)NCCc2c3n(c4ccccc24)CCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.46
MTNR1B P49286 10/20 0.46
ESRRG P62508 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
MCHR1 Q99705 2/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 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
Hydrochloric Acid SCHEMBL9688642 0.99 MTNR1A (0.45) MTNR1AMTNR1BESRRGCD274TP53
SCHEMBL9689411 0.89 NPC1 (0.45) MTNR1AMTNR1BTP53MAPTPOLB
Hydrochloric Acid SCHEMBL9688101 0.88 NPC1 (0.44) MTNR1AMTNR1BTP53MAPTPOLB
SCHEMBL9687666 0.87 NAMPT (0.46) MTNR1AMTNR1B
SCHEMBL9688802 0.86 MTNR1A (0.50) MTNR1AMTNR1BCYP2D6
SCHEMBL9688621 0.86 SMN1; SMN2 (0.52) MTNR1AMTNR1BTP53MAPTLMNA
Hydrochloric Acid SCHEMBL9687465 0.85 ACHE (0.47) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9687471 0.85 ACHE (0.47) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9688696 0.85 MTNR1A (0.48) MTNR1AMTNR1BCYP2D6
Hydrochloric Acid SCHEMBL9688707 0.85 MTNR1A (0.48) MTNR1AMTNR1BCYP2D6

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
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP claimed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP claimed