SCHEMBL31401596

SCHEMBL31401596

COc1ccc(I)cc1CNC1CCCNC1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.79
CYP2D6 P10635 4/20 0.71
KCNH2 Q12809 1/20 0.71
HTR1A P08908 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
HRH1 P35367 1/20 0.69
HTR2B P41595 1/20 0.69
SLC6A3 Q01959 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69
SIGMAR1 Q99720 1/20 0.69

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
SCHEMBL31401661 0.89 TACR1 (0.77) TACR1CYP2D6
SCHEMBL6555223 0.88 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554707 0.88 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8872810 0.88 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6555227 0.88 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554698 0.88 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8872819 0.88 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554720 0.88 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554709 0.88 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6555215 0.88 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A

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-4739655-A2 SUBSTITUTED 2-PHENYLPIPERIDINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT AND/OR PREVENTION OF CANCER Nestor, Marika (SE) 2026-05-13 EP claimed
WO-2025008409-A2 SUBSTITUTED 2-PHENYLPIPERIDINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT AND/OR PREVENTION OF CANCER JHA PREETI (US) 2025-01-09 WO claimed
EP-4739655-A2 SUBSTITUTED 2-PHENYLPIPERIDINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT AND/OR PREVENTION OF CANCER Nestor, Marika (SE) 2026-05-13 EP disclosed
WO-2025008409-A2 SUBSTITUTED 2-PHENYLPIPERIDINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT AND/OR PREVENTION OF CANCER JHA PREETI (US) 2025-01-09 WO disclosed